N-[(Phenylmethoxy)carbonyl]-L-glutamic acid tert-butyl ester supplier

Name
Z-GLU-OTBU
EINECS 2017-001-1
CAS No. 5891-45-2
Article Data10
CAS DataBase
Density 1.197 g/cm³
Solubility
Melting Point 81.0 to 85.0 °C
Formula C₁₇H₂₃NO₆
Boiling Point 522.6 °C at 760 mmHg
Molecular Weight 337.373
Flash Point 269.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Glutamic acid, N-carboxy-,N-benzyl 1-tert-butyl ester, L- (8CI);N-(Benzyloxycarbonyl)glutamic acid a-tert-butyl ester;NSC 169169;a-tert-ButylN-benzyloxycarbonyl-L-glutamate;Z-Glu-OtBu;Glutamicacid, N-carboxy-, N-benzyl 1-tert-butyl ester (7CI);
PSA 101.93000
LogP 2.87880

N-[(Phenylmethoxy)carbonyl]-L-glutamic acid tert-butyl ester Specification

The Z-Glu-OtBu with CAS registry number of 5891-45-2 is also known as L-Glutamic acid, N-[(phenylmethoxy)carbonyl]-, 1-(1,1-dimethylethyl) ester. The IUPAC name is 5-[(2-Methylpropan-2-yl)oxy]-5-oxo-4-(phenylmethoxycarbonylamino) pentanoic acid. It belongs to product categories of Z-Amino Acids and Derivatives; Z-Amino acid series. In addition, the formula is C₁₇H₂₃NO₆ and the molecular weight is 337.37. This chemical should be stored at 2-8 °C.

Physical properties about Z-Glu-OtBu are: (1)ACD/LogP: 3.43; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.32; (4)ACD/LogD (pH 7.4): 0.52; (5)ACD/BCF (pH 5.5): 18.45; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 135.62; (8)ACD/KOC (pH 7.4): 2.15; (9)#H bond acceptors: 7; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 82.14Å²; (13)Index of Refraction: 1.523; (14)Molar Refractivity: 86.13 cm³; (15)Molar Volume: 281.6 cm³; (16)Polarizability: 34.14×10^-24cm³; (17)Surface Tension: 46 dyne/cm; (18)Density: 1.197 g/cm³; (19)Flash Point: 269.9 °C; (20)Enthalpy of Vaporization: 83.81 kJ/mol; (21)Boiling Point: 522.6 °C at 760 mmHg; (22)Vapour Pressure: 9.49E-12 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
1. SMILES: O=C(OC(C)(C)C)[C@@H](NC(=O)OCc1ccccc1)CCC(=O)O
2. InChI: InChI=1/C17H23NO6/c1-17(2,3)24-15(21)13(9-10-14(19)20)18-16(22)23-11-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3,(H,18,22)(H,19,20)/t13-/m0/s1
3. InChIKey: VJECGKAFPHEJQS-ZDUSSCGKBY
4. Std. InChI: InChI=1S/C17H23NO6/c1-17(2,3)24-15(21)13(9-10-14(19)20)18-16(22)23-11-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3,(H,18,22)(H,19,20)/t13-/m0/s1
5. Std. InChIKey: VJECGKAFPHEJQS-ZDUSSCGKSA-N

Product Name

Z-GLU-OTBU

N-[(Phenylmethoxy)carbonyl]-L-glutamic acid tert-butyl ester Specification

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